SCHEMBL6538425

SCHEMBL6538425

CCOC(=O)Cc1c(Br)cnc2c(N)cccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 3/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 2/20 0.37
CDC25B P30305 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
ABCB1 P08183 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6538281 0.85 CHEK1 (0.49) CHEK1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6537478 0.82 MAPK1 (0.40) SMN1; SMN2NPC1RAB9AKMT2AKDM4E
SCHEMBL6537389 0.77 POLB (0.43) SMN1; SMN2KMT2AKDM4ELMNAALDH1A1
SCHEMBL6537469 0.76 CHEK1 (0.52) CHEK1SMN1; SMN2KMT2AKDM4ELMNA
SCHEMBL6536546 0.76 CHEK1 (0.52) CHEK1SMN1; SMN2KMT2AALDH1A1MAPK1
SCHEMBL30774516 0.73 SMN1; SMN2 (0.46) CHEK1SMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL15864578 0.73 SMN1; SMN2 (0.46) CHEK1SMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL19474972 0.72 L3MBTL1 (0.46) CHEK1SMN1; SMN2KMT2AKDM4ELMNA
SCHEMBL28118721 0.70 CHEK1 (0.50) CHEK1SMN1; SMN2KMT2AKDM4ELMNA
SCHEMBL6537473 0.70 KDM4E (0.48) CHEK1SMN1; SMN2NPC1KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed